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CAS 613261-14-6 1,2-Cyclopropanedicarboxylicacid,monoethylester,(1R,2R)-(9CI) molecular structure lightbox
CAS RN: 613261-14-6

1,2-Cyclopropanedicarboxylicacid,monoethylester,(1R,2R)-(9CI)

  • Product code: starshine_CAS613261-14-6
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 613261-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Shanghai Inquiry
0.25g 95%+ 0 Out of Stock Shanghai Inquiry
1g 95%+ 0 Out of Stock Shenzhen Inquiry
5g 95%+ 0 Out of Stock Hong Kong Inquiry

613261-14-6 / 2-ethoxycarbonylcyclopropane-1-carboxylic acid

Standard CAS: 613261-14-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
613261-14-6
Multi CAS
Yes
Molecular Formula
C7H10O4
Molecular Weight
158.150000
Exact Mass
158.057909
InChI
InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
BRVQFDJETHFEQY-RFZPGFLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.87
TPSA
63.6

LogP / Solubility

WLOGP
0.27
MLOGP
0.23
XLogP3
0.1
Consensus LogP
0.2
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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